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(1S,3R,7S,8S,8aR)-8-{2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl}-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2,2,3-trimethylbut-3-enoate

(1S,3R,7S,8S,8aR)-8-{2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl}-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2,2,3-trimethylbut-3-enoate

CAS: 79902-62-8

Formula: C26H38O5

SMILES: [H][C@]12[C@H](C[C@@H](C)C=C1C=C[C@H](C)[C@@H]2CC[C@@H]1C[C@@H](O)CC(=O)O1)OC(=O)C(C)(C)C(C)=C

IUPAC: (1S,3R,7S,8S,8aR)-8-{2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl}-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2,2,3-trimethylbut-3-enoate

InChI: InChI=1S/C26H38O5/c1-15(2)26(5,6)25(29)31-22-12-16(3)11-18-8-7-17(4)21(24(18)22)10-9-20-13-19(27)14-23(28)30-20/h7-8,11,16-17,19-22,24,27H,1,9-10,12-14H2,2-6H3/t16-,17-,19+,20+,21-,22-,24-/m0/s1

Composition: C (72.53%), H (8.90%), O (18.58%)

Molar Mass: 430.585

Atom Count: 69

Heavy Atom Count: 31

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 7
Exact Mass 430.271924324
Formal Charge 0
FSP3 0.69
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey DVEHRVPFAWVDCV-RVTXAWHXSA-N
Lipinski's Rule of Five 1
Molar Refractivity 122.01
Topological Polar Surface Area 72.83
Polarizability 47.85
Ring Count 3
Rotatable Bond Count 7

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Purity (%)
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Purity LeadTime CAS PacketSize UnitPrice
97% <14 Days 79902-62-8 $138.72-$1,108.74$138.72$1,108.74
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