(1R,5R,8S,11R,13R,14S,17R,18S,20R,21R,24R)-20,21-Dihydroxy-5,8,11,14,17,24-hexamethyl-22-oxahexacyclo[19.2.1.0^1,18.0^4,17.0^5,14.0^8,13]tetracosane-11-carboxylic acid
[CAS# 86632-20-4]

Identification

• Name: (1R,5R,8S,11R,13R,14S,17R,18S,20R,21R,24R)-20,21-Dihydroxy-5,8,11,14,17,24-hexamethyl-22-oxahexacyclo[19.2.1.0^1,18.0^4,17.0^5,14.0^8,13]tetracosane-11-carboxylic acid
• Synonyms: 2H-3,4a-(Epoxymethano)picene-11-carboxylic acid, eicosahydro-2,3-dihydroxy-4,6b,8,11,12b,14a-hexamethyl-, (2R-(2-α,3-β,4-β,4a-β,6a-α,6b-β,8a-β,11-α,12a-β,12b-α,14a-β,14b-α))-; orthosphenic acid
• Molecular Formula: C₃₀H₄₈O₅
• Molecular Weight: 488.70
• CAS Registry Number: 86632-20-4
• SMILES: O=C(O)[C@@]6(C)C[C@H]5[C@]4([C@](C3[C@@]([C@H]2[C@]1(CO[C@](O)([C@@H]1C)[C@H](O)C2)CC3)(C)CC4)(C)CC[C@@]5(C)CC6)C
• InChI: 1S/C30H48O5/c1-18-29-8-7-19-26(4,20(29)15-22(31)30(18,34)35-17-29)12-14-28(6)21-16-25(3,23(32)33)10-9-24(21,2)11-13-27(19,28)5/h18-22,31,34H,7-17H2,1-6H3,(H,32,33)/t18-,19?,20+,21-,22-,24-,25-,26-,27-,28+,29+,30-/m1/s1
• InChIKey: JPAXVSRGFJVPEU-OHXGIKNOSA-N

Properties

• Density: 1.2g/cm³ (Cal.)
• Boiling point: 591.918°C at 760 mmHg (Cal.)
• Flash point: 185.841°C (Cal.)